MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02268678

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

O1c2c(cc(C)c(C)c2C(O)=O)C(=O)C=C1c1ccc(cc1)C

InChI:

InChI=1/C19H16O4/c1-10-4-6-13(7-5-10)16-9-15(20)14-8-11(2)12(3)17(19(21)22)18(14)23-16/h4-9H,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3643 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -5.93965	SlogP: 3.92626	Reactive groups: 1

Topological Properties
Globularity: 0.0125953	Sterimol/B1: 2.84266	Sterimol/B2: 2.89864	Sterimol/B3: 4.55714
Sterimol/B4: 6.13255	Sterimol/L: 16.1014

Surface and Volume Properties
Accessible surface: 542.455	Positive charged surface: 287.491	Negative charged surface: 254.964	Volume: 293.125
Hydrophobic surface: 419.693	Hydrophilic surface: 122.762

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02268679
NCID-ZINC01620495